2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide

C15H18N2O3 — CID 62525022

IUPAC2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(CN)cc2)o1
InChIInChI=1S/C15H18N2O3/c1-11-2-5-14(20-11)9-17-15(18)10-19-13-6-3-12(8-16)4-7-13/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyDXMGIIHGWBZNPO-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.74
Rot. Bonds6

About 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide

2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide (PubChem CID 62525022) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
PubChem CID62525022
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide
SMILESCc1ccc(CNC(=O)COc2ccc(CN)cc2)o1
InChIInChI=1S/C15H18N2O3/c1-11-2-5-14(20-11)9-17-15(18)10-19-13-6-3-12(8-16)4-7-13/h2-7H,8-10,16H2,1H3,(H,17,18)
InChIKeyDXMGIIHGWBZNPO-UHFFFAOYSA-N
XLogP1.74
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-ethylacetamide
CID 43366447
N-[(5-methylfuran-2-yl)methyl]-2-propan-2-yloxyacetamide
CID 112605133
2-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]acetamide
CID 16774708
2-[4-(aminomethyl)phenoxy]-N-(cyclopentylmethyl)acetamide
CID 43370712
N-[(5-methylfuran-2-yl)methyl]-2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetamide
CID 5195228
2-[4-(aminomethyl)phenoxy]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106484956
2-[4-[4-(aminomethyl)phenyl]phenoxy]-N-methylacetamide
CID 43366442
2-(4-carbamothioylphenyl)-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 63613534
2-[4-(aminomethyl)phenoxy]-N-[2-(methanesulfonamido)ethyl]acetamide
CID 43545869
methyl 4-[[2-[4-(aminomethyl)phenoxy]acetyl]amino]butanoate
CID 106484765
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
4-chloro-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 63308436

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide (CID 62525022) is 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide is Cc1ccc(CNC(=O)COc2ccc(CN)cc2)o1.
What is the InChIKey of 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
The InChIKey is DXMGIIHGWBZNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-11-2-5-14(20-11)9-17-15(18)10-19-13-6-3-12(8-16)4-7-13/h2-7H,8-10,16H2,1H3,(H,17,18).
What are the key properties of 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide?
2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide has a molecular weight of 274.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)phenoxy]-N-[(5-methylfuran-2-yl)methyl]acetamide is sourced from PubChem (CID 62525022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).